BDBM50386695 CHEMBL2048791

SMILES: OCCn1ccc2ncnc(Nc3ccc(Oc4ccc5NC(=O)Cc5c4)c(Cl)c3)c12

InChI Key: InChIKey=DSVDKYADAKKORA-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50386695   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50386695 (CHEMBL2048791) Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4ccc5NC(=O)Cc5c4)c(Cl)c3)c12 Show InChI InChI=1S/C22H18ClN5O3/c23-16-11-14(26-22-21-18(24-12-25-22)5-6-28(21)7-8-29)1-4-19(16)31-15-2-3-17-13(9-15)10-20(30)27-17/h1-6,9,11-12,29H,7-8,10H2,(H,27,30)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant EGFR expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50386695 (CHEMBL2048791) Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4ccc5NC(=O)Cc5c4)c(Cl)c3)c12 Show InChI InChI=1S/C22H18ClN5O3/c23-16-11-14(26-22-21-18(24-12-25-22)5-6-28(21)7-8-29)1-4-19(16)31-15-2-3-17-13(9-15)10-20(30)27-17/h1-6,9,11-12,29H,7-8,10H2,(H,27,30)(H,24,25,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair